N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

C16H21N3O2 — CID 98750432

IUPACN-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nnc(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1
InChIInChI=1S/C16H21N3O2/c1-10-7-14(10)15-6-5-13(21-15)8-19(12-3-4-12)9-16-18-17-11(2)20-16/h5-6,10,12,14H,3-4,7-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyALUWJVDOIQAPOT-YGRLFVJLSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds6

About N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 98750432) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
PubChem CID98750432
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nnc(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1
InChIInChI=1S/C16H21N3O2/c1-10-7-14(10)15-6-5-13(21-15)8-19(12-3-4-12)9-16-18-17-11(2)20-16/h5-6,10,12,14H,3-4,7-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyALUWJVDOIQAPOT-YGRLFVJLSA-N
XLogP3.26
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 94163146
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 52502100
1-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60508165
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 97091734
6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine
CID 102557069
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
N-cyclopropyl-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 51079314
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 42960439
2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan
CID 64867925
2-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55682605

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (CID 98750432) is N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is Cc1nnc(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1.
What is the InChIKey of N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is ALUWJVDOIQAPOT-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-7-14(10)15-6-5-13(21-15)8-19(12-3-4-12)9-16-18-17-11(2)20-16/h5-6,10,12,14H,3-4,7-9H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 98750432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).